USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 417 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 422 ASN : amide:sc= -8.11! C(o=-8!,f=-8.8!) USER MOD Set 1.2: A 424 SER OG : rot -110:sc= 0.124 USER MOD Single : A 325 HIS : no HD1:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 327 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.6!) USER MOD Single : A 338 ASN : amide:sc= -0.947 K(o=-0.95,f=-0.055) USER MOD Single : A 339 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00395) USER MOD Single : A 398 ASN : amide:sc= -0.154 K(o=-0.15,f=-2!) USER MOD Single : A 401 ASN : amide:sc= -4.77 K(o=-4.8,f=-13!) USER MOD Single : A 402 TYR OH : rot 180:sc= 0 USER MOD Single : A 403 ASN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 404 THR OG1 : rot 44:sc= 1.06 USER MOD Single : A 406 THR OG1 : rot 180:sc= 0 USER MOD Single : A 407 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 408 LYS NZ :NH3+ -170:sc= 0.975 (180deg=0.887) USER MOD Single : A 413 ASN : amide:sc= -2.35! C(o=-2.4!,f=-3.8!) USER MOD Single : A 415 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 417 THR OG1 : rot 180:sc= 0 USER MOD Single : A 421 ASN : amide:sc=-0.00393 K(o=-0.0039,f=-0.79) USER MOD Single : A 423 SER OG : rot 100:sc= 0.795 USER MOD Single : A 425 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 347 N CYS A 320 -13.871 8.154 -2.985 1.00 0.00 N ATOM 348 CA CYS A 320 -13.151 7.074 -3.716 1.00 0.00 C ATOM 349 C CYS A 320 -13.889 6.722 -5.012 1.00 0.00 C ATOM 350 O CYS A 320 -15.071 6.964 -5.159 1.00 0.00 O ATOM 351 CB CYS A 320 -13.146 5.883 -2.751 1.00 0.00 C ATOM 352 SG CYS A 320 -12.289 4.476 -3.510 1.00 0.00 S ATOM 0 HA CYS A 320 -12.142 7.370 -4.004 1.00 0.00 H new ATOM 0 HB2 CYS A 320 -12.653 6.161 -1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 320 -14.169 5.604 -2.499 1.00 0.00 H new ATOM 357 N GLU A 321 -13.181 6.142 -5.940 1.00 0.00 N ATOM 358 CA GLU A 321 -13.798 5.745 -7.241 1.00 0.00 C ATOM 359 C GLU A 321 -13.442 4.288 -7.557 1.00 0.00 C ATOM 360 O GLU A 321 -12.624 3.686 -6.889 1.00 0.00 O ATOM 361 CB GLU A 321 -13.195 6.694 -8.285 1.00 0.00 C ATOM 362 CG GLU A 321 -11.666 6.585 -8.280 1.00 0.00 C ATOM 363 CD GLU A 321 -11.127 6.887 -9.680 1.00 0.00 C ATOM 364 OE1 GLU A 321 -11.511 6.190 -10.604 1.00 0.00 O ATOM 365 OE2 GLU A 321 -10.341 7.812 -9.803 1.00 0.00 O ATOM 0 H GLU A 321 -12.189 5.923 -5.853 1.00 0.00 H new ATOM 0 HA GLU A 321 -14.886 5.814 -7.225 1.00 0.00 H new ATOM 0 HB2 GLU A 321 -13.581 6.450 -9.275 1.00 0.00 H new ATOM 0 HB3 GLU A 321 -13.494 7.720 -8.070 1.00 0.00 H new ATOM 0 HG2 GLU A 321 -11.244 7.284 -7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 321 -11.363 5.585 -7.970 1.00 0.00 H new ATOM 372 N ASP A 322 -14.053 3.716 -8.567 1.00 0.00 N ATOM 373 CA ASP A 322 -13.751 2.290 -8.924 1.00 0.00 C ATOM 374 C ASP A 322 -12.250 2.104 -9.187 1.00 0.00 C ATOM 375 O ASP A 322 -11.694 2.683 -10.101 1.00 0.00 O ATOM 376 CB ASP A 322 -14.561 2.007 -10.195 1.00 0.00 C ATOM 377 CG ASP A 322 -14.156 2.986 -11.303 1.00 0.00 C ATOM 378 OD1 ASP A 322 -14.584 4.127 -11.244 1.00 0.00 O ATOM 379 OD2 ASP A 322 -13.427 2.575 -12.191 1.00 0.00 O ATOM 0 H ASP A 322 -14.747 4.172 -9.159 1.00 0.00 H new ATOM 0 HA ASP A 322 -14.014 1.607 -8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 322 -14.391 0.982 -10.524 1.00 0.00 H new ATOM 0 HB3 ASP A 322 -15.627 2.102 -9.986 1.00 0.00 H new ATOM 384 N ILE A 323 -11.595 1.294 -8.390 1.00 0.00 N ATOM 385 CA ILE A 323 -10.130 1.060 -8.587 1.00 0.00 C ATOM 386 C ILE A 323 -9.898 0.263 -9.885 1.00 0.00 C ATOM 387 O ILE A 323 -10.398 -0.837 -10.015 1.00 0.00 O ATOM 388 CB ILE A 323 -9.686 0.242 -7.367 1.00 0.00 C ATOM 389 CG1 ILE A 323 -9.948 1.045 -6.089 1.00 0.00 C ATOM 390 CG2 ILE A 323 -8.190 -0.071 -7.467 1.00 0.00 C ATOM 391 CD1 ILE A 323 -9.657 0.171 -4.869 1.00 0.00 C ATOM 0 H ILE A 323 -12.012 0.785 -7.611 1.00 0.00 H new ATOM 0 HA ILE A 323 -9.569 1.990 -8.675 1.00 0.00 H new ATOM 0 HB ILE A 323 -10.250 -0.690 -7.338 1.00 0.00 H new ATOM 0 HG12 ILE A 323 -9.319 1.935 -6.071 1.00 0.00 H new ATOM 0 HG13 ILE A 323 -10.983 1.386 -6.067 1.00 0.00 H new ATOM 0 HG21 ILE A 323 -7.881 -0.652 -6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 323 -7.998 -0.645 -8.374 1.00 0.00 H new ATOM 0 HG23 ILE A 323 -7.625 0.860 -7.500 1.00 0.00 H new ATOM 0 HD11 ILE A 323 -9.843 0.742 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 323 -10.305 -0.705 -4.886 1.00 0.00 H new ATOM 0 HD13 ILE A 323 -8.615 -0.148 -4.890 1.00 0.00 H new ATOM 403 N PRO A 324 -9.151 0.831 -10.813 1.00 0.00 N ATOM 404 CA PRO A 324 -8.886 0.122 -12.088 1.00 0.00 C ATOM 405 C PRO A 324 -7.910 -1.048 -11.872 1.00 0.00 C ATOM 406 O PRO A 324 -8.330 -2.172 -11.666 1.00 0.00 O ATOM 407 CB PRO A 324 -8.297 1.206 -12.992 1.00 0.00 C ATOM 408 CG PRO A 324 -7.718 2.226 -12.062 1.00 0.00 C ATOM 409 CD PRO A 324 -8.494 2.150 -10.772 1.00 0.00 C ATOM 0 HA PRO A 324 -9.778 -0.331 -12.522 1.00 0.00 H new ATOM 0 HB2 PRO A 324 -7.532 0.795 -13.651 1.00 0.00 H new ATOM 0 HB3 PRO A 324 -9.064 1.646 -13.630 1.00 0.00 H new ATOM 0 HG2 PRO A 324 -6.660 2.029 -11.886 1.00 0.00 H new ATOM 0 HG3 PRO A 324 -7.789 3.224 -12.494 1.00 0.00 H new ATOM 0 HD2 PRO A 324 -7.836 2.239 -9.907 1.00 0.00 H new ATOM 0 HD3 PRO A 324 -9.225 2.955 -10.701 1.00 0.00 H new ATOM 417 N HIS A 325 -6.619 -0.806 -11.918 1.00 0.00 N ATOM 418 CA HIS A 325 -5.639 -1.914 -11.718 1.00 0.00 C ATOM 419 C HIS A 325 -4.391 -1.402 -10.992 1.00 0.00 C ATOM 420 O HIS A 325 -3.732 -0.487 -11.449 1.00 0.00 O ATOM 421 CB HIS A 325 -5.283 -2.380 -13.130 1.00 0.00 C ATOM 422 CG HIS A 325 -4.905 -3.836 -13.100 1.00 0.00 C ATOM 423 ND1 HIS A 325 -5.823 -4.833 -12.813 1.00 0.00 N ATOM 424 CD2 HIS A 325 -3.712 -4.478 -13.323 1.00 0.00 C ATOM 425 CE1 HIS A 325 -5.174 -6.011 -12.870 1.00 0.00 C ATOM 426 NE2 HIS A 325 -3.884 -5.851 -13.178 1.00 0.00 N ATOM 0 H HIS A 325 -6.206 0.112 -12.086 1.00 0.00 H new ATOM 0 HA HIS A 325 -6.047 -2.720 -11.108 1.00 0.00 H new ATOM 0 HB2 HIS A 325 -6.130 -2.227 -13.799 1.00 0.00 H new ATOM 0 HB3 HIS A 325 -4.457 -1.787 -13.522 1.00 0.00 H new ATOM 0 HD2 HIS A 325 -2.781 -3.991 -13.573 1.00 0.00 H new ATOM 0 HE1 HIS A 325 -5.639 -6.969 -12.689 1.00 0.00 H new ATOM 0 HE2 HIS A 325 -3.177 -6.579 -13.284 1.00 0.00 H new ATOM 434 N VAL A 326 -4.058 -1.992 -9.870 1.00 0.00 N ATOM 435 CA VAL A 326 -2.844 -1.548 -9.117 1.00 0.00 C ATOM 436 C VAL A 326 -1.587 -2.148 -9.756 1.00 0.00 C ATOM 437 O VAL A 326 -1.658 -3.120 -10.485 1.00 0.00 O ATOM 438 CB VAL A 326 -3.033 -2.066 -7.685 1.00 0.00 C ATOM 439 CG1 VAL A 326 -4.290 -1.439 -7.080 1.00 0.00 C ATOM 440 CG2 VAL A 326 -3.181 -3.592 -7.686 1.00 0.00 C ATOM 0 H VAL A 326 -4.574 -2.761 -9.443 1.00 0.00 H new ATOM 0 HA VAL A 326 -2.723 -0.465 -9.131 1.00 0.00 H new ATOM 0 HB VAL A 326 -2.159 -1.794 -7.093 1.00 0.00 H new ATOM 0 HG11 VAL A 326 -4.426 -1.806 -6.063 1.00 0.00 H new ATOM 0 HG12 VAL A 326 -4.184 -0.354 -7.063 1.00 0.00 H new ATOM 0 HG13 VAL A 326 -5.157 -1.709 -7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 326 -3.314 -3.945 -6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 326 -4.049 -3.873 -8.283 1.00 0.00 H new ATOM 0 HG23 VAL A 326 -2.285 -4.044 -8.112 1.00 0.00 H new ATOM 450 N ASN A 327 -0.442 -1.570 -9.496 1.00 0.00 N ATOM 451 CA ASN A 327 0.822 -2.097 -10.093 1.00 0.00 C ATOM 452 C ASN A 327 1.444 -3.152 -9.174 1.00 0.00 C ATOM 453 O ASN A 327 1.593 -2.943 -7.985 1.00 0.00 O ATOM 454 CB ASN A 327 1.739 -0.878 -10.213 1.00 0.00 C ATOM 455 CG ASN A 327 1.725 -0.361 -11.653 1.00 0.00 C ATOM 456 OD1 ASN A 327 1.612 -1.131 -12.586 1.00 0.00 O ATOM 457 ND2 ASN A 327 1.835 0.920 -11.874 1.00 0.00 N ATOM 0 H ASN A 327 -0.328 -0.754 -8.895 1.00 0.00 H new ATOM 0 HA ASN A 327 0.655 -2.578 -11.057 1.00 0.00 H new ATOM 0 HB2 ASN A 327 1.408 -0.094 -9.532 1.00 0.00 H new ATOM 0 HB3 ASN A 327 2.755 -1.145 -9.922 1.00 0.00 H new ATOM 0 HD21 ASN A 327 1.826 1.275 -12.830 1.00 0.00 H new ATOM 0 HD22 ASN A 327 1.930 1.566 -11.091 1.00 0.00 H new ATOM 464 N GLU A 328 1.806 -4.285 -9.722 1.00 0.00 N ATOM 465 CA GLU A 328 2.416 -5.367 -8.893 1.00 0.00 C ATOM 466 C GLU A 328 3.944 -5.338 -9.010 1.00 0.00 C ATOM 467 O GLU A 328 4.490 -5.117 -10.074 1.00 0.00 O ATOM 468 CB GLU A 328 1.861 -6.667 -9.475 1.00 0.00 C ATOM 469 CG GLU A 328 2.184 -7.825 -8.529 1.00 0.00 C ATOM 470 CD GLU A 328 2.214 -9.136 -9.316 1.00 0.00 C ATOM 471 OE1 GLU A 328 3.273 -9.480 -9.815 1.00 0.00 O ATOM 472 OE2 GLU A 328 1.178 -9.775 -9.406 1.00 0.00 O ATOM 0 H GLU A 328 1.704 -4.507 -10.712 1.00 0.00 H new ATOM 0 HA GLU A 328 2.180 -5.255 -7.835 1.00 0.00 H new ATOM 0 HB2 GLU A 328 0.783 -6.586 -9.613 1.00 0.00 H new ATOM 0 HB3 GLU A 328 2.295 -6.853 -10.457 1.00 0.00 H new ATOM 0 HG2 GLU A 328 3.147 -7.656 -8.047 1.00 0.00 H new ATOM 0 HG3 GLU A 328 1.437 -7.881 -7.738 1.00 0.00 H new ATOM 479 N PHE A 329 4.634 -5.566 -7.920 1.00 0.00 N ATOM 480 CA PHE A 329 6.128 -5.560 -7.955 1.00 0.00 C ATOM 481 C PHE A 329 6.674 -6.957 -7.610 1.00 0.00 C ATOM 482 O PHE A 329 6.867 -7.270 -6.452 1.00 0.00 O ATOM 483 CB PHE A 329 6.546 -4.543 -6.889 1.00 0.00 C ATOM 484 CG PHE A 329 7.864 -3.911 -7.275 1.00 0.00 C ATOM 485 CD1 PHE A 329 8.971 -4.718 -7.570 1.00 0.00 C ATOM 486 CD2 PHE A 329 7.978 -2.517 -7.333 1.00 0.00 C ATOM 487 CE1 PHE A 329 10.191 -4.130 -7.925 1.00 0.00 C ATOM 488 CE2 PHE A 329 9.198 -1.929 -7.689 1.00 0.00 C ATOM 489 CZ PHE A 329 10.304 -2.735 -7.984 1.00 0.00 C ATOM 0 H PHE A 329 4.225 -5.756 -7.005 1.00 0.00 H new ATOM 0 HA PHE A 329 6.516 -5.301 -8.940 1.00 0.00 H new ATOM 0 HB2 PHE A 329 5.780 -3.775 -6.786 1.00 0.00 H new ATOM 0 HB3 PHE A 329 6.637 -5.034 -5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 329 8.883 -5.793 -7.524 1.00 0.00 H new ATOM 0 HD2 PHE A 329 7.125 -1.895 -7.103 1.00 0.00 H new ATOM 0 HE1 PHE A 329 11.044 -4.751 -8.153 1.00 0.00 H new ATOM 0 HE2 PHE A 329 9.286 -0.854 -7.736 1.00 0.00 H new ATOM 0 HZ PHE A 329 11.245 -2.281 -8.257 1.00 0.00 H new ATOM 499 N PRO A 330 6.907 -7.761 -8.626 1.00 0.00 N ATOM 500 CA PRO A 330 7.437 -9.127 -8.393 1.00 0.00 C ATOM 501 C PRO A 330 8.932 -9.072 -8.054 1.00 0.00 C ATOM 502 O PRO A 330 9.762 -9.580 -8.786 1.00 0.00 O ATOM 503 CB PRO A 330 7.208 -9.836 -9.726 1.00 0.00 C ATOM 504 CG PRO A 330 7.168 -8.746 -10.751 1.00 0.00 C ATOM 505 CD PRO A 330 6.703 -7.490 -10.060 1.00 0.00 C ATOM 0 HA PRO A 330 6.955 -9.635 -7.558 1.00 0.00 H new ATOM 0 HB2 PRO A 330 8.008 -10.545 -9.937 1.00 0.00 H new ATOM 0 HB3 PRO A 330 6.276 -10.401 -9.716 1.00 0.00 H new ATOM 0 HG2 PRO A 330 8.154 -8.598 -11.192 1.00 0.00 H new ATOM 0 HG3 PRO A 330 6.491 -9.009 -11.564 1.00 0.00 H new ATOM 0 HD2 PRO A 330 7.277 -6.622 -10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 330 5.656 -7.281 -10.279 1.00 0.00 H new ATOM 513 N ALA A 331 9.279 -8.459 -6.949 1.00 0.00 N ATOM 514 CA ALA A 331 10.719 -8.368 -6.560 1.00 0.00 C ATOM 515 C ALA A 331 10.858 -8.308 -5.035 1.00 0.00 C ATOM 516 O ALA A 331 10.355 -7.406 -4.393 1.00 0.00 O ATOM 517 CB ALA A 331 11.218 -7.069 -7.194 1.00 0.00 C ATOM 0 H ALA A 331 8.627 -8.018 -6.300 1.00 0.00 H new ATOM 0 HA ALA A 331 11.291 -9.234 -6.895 1.00 0.00 H new ATOM 0 HB1 ALA A 331 12.272 -6.928 -6.954 1.00 0.00 H new ATOM 0 HB2 ALA A 331 11.096 -7.122 -8.276 1.00 0.00 H new ATOM 0 HB3 ALA A 331 10.642 -6.229 -6.805 1.00 0.00 H new ATOM 523 N ILE A 332 11.541 -9.264 -4.456 1.00 0.00 N ATOM 524 CA ILE A 332 11.725 -9.271 -2.972 1.00 0.00 C ATOM 525 C ILE A 332 13.186 -9.585 -2.628 1.00 0.00 C ATOM 526 O ILE A 332 13.483 -10.582 -1.996 1.00 0.00 O ATOM 527 CB ILE A 332 10.791 -10.375 -2.456 1.00 0.00 C ATOM 528 CG1 ILE A 332 9.338 -10.062 -2.853 1.00 0.00 C ATOM 529 CG2 ILE A 332 10.893 -10.472 -0.930 1.00 0.00 C ATOM 530 CD1 ILE A 332 8.891 -8.718 -2.258 1.00 0.00 C ATOM 0 H ILE A 332 11.980 -10.042 -4.948 1.00 0.00 H new ATOM 0 HA ILE A 332 11.493 -8.307 -2.519 1.00 0.00 H new ATOM 0 HB ILE A 332 11.089 -11.325 -2.900 1.00 0.00 H new ATOM 0 HG12 ILE A 332 9.251 -10.032 -3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 332 8.680 -10.857 -2.502 1.00 0.00 H new ATOM 0 HG21 ILE A 332 10.228 -11.257 -0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 332 11.919 -10.708 -0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 332 10.605 -9.520 -0.485 1.00 0.00 H new ATOM 0 HD11 ILE A 332 7.861 -8.515 -2.551 1.00 0.00 H new ATOM 0 HD12 ILE A 332 8.958 -8.761 -1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 332 9.537 -7.923 -2.630 1.00 0.00 H new ATOM 542 N ASP A 333 14.095 -8.740 -3.043 1.00 0.00 N ATOM 543 CA ASP A 333 15.540 -8.978 -2.747 1.00 0.00 C ATOM 544 C ASP A 333 16.026 -8.021 -1.654 1.00 0.00 C ATOM 545 O ASP A 333 16.417 -8.441 -0.582 1.00 0.00 O ATOM 546 CB ASP A 333 16.264 -8.702 -4.066 1.00 0.00 C ATOM 547 CG ASP A 333 17.727 -9.129 -3.945 1.00 0.00 C ATOM 548 OD1 ASP A 333 18.511 -8.350 -3.429 1.00 0.00 O ATOM 549 OD2 ASP A 333 18.040 -10.229 -4.373 1.00 0.00 O ATOM 0 H ASP A 333 13.898 -7.893 -3.576 1.00 0.00 H new ATOM 0 HA ASP A 333 15.725 -9.989 -2.383 1.00 0.00 H new ATOM 0 HB2 ASP A 333 15.782 -9.246 -4.878 1.00 0.00 H new ATOM 0 HB3 ASP A 333 16.203 -7.642 -4.312 1.00 0.00 H new ATOM 554 N LEU A 334 16.002 -6.740 -1.921 1.00 0.00 N ATOM 555 CA LEU A 334 16.459 -5.746 -0.901 1.00 0.00 C ATOM 556 C LEU A 334 15.775 -4.399 -1.139 1.00 0.00 C ATOM 557 O LEU A 334 15.009 -3.928 -0.320 1.00 0.00 O ATOM 558 CB LEU A 334 17.973 -5.625 -1.110 1.00 0.00 C ATOM 559 CG LEU A 334 18.710 -6.365 0.009 1.00 0.00 C ATOM 560 CD1 LEU A 334 20.082 -6.816 -0.497 1.00 0.00 C ATOM 561 CD2 LEU A 334 18.892 -5.429 1.206 1.00 0.00 C ATOM 0 H LEU A 334 15.685 -6.338 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 334 16.214 -6.054 0.115 1.00 0.00 H new ATOM 0 HB2 LEU A 334 18.250 -6.041 -2.078 1.00 0.00 H new ATOM 0 HB3 LEU A 334 18.266 -4.575 -1.119 1.00 0.00 H new ATOM 0 HG LEU A 334 18.129 -7.236 0.313 1.00 0.00 H new ATOM 0 HD11 LEU A 334 20.608 -7.343 0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 334 19.954 -7.482 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 334 20.662 -5.945 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 334 19.417 -5.956 2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 334 19.473 -4.559 0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 334 17.916 -5.105 1.567 1.00 0.00 H new ATOM 573 N PHE A 335 16.052 -3.775 -2.257 1.00 0.00 N ATOM 574 CA PHE A 335 15.426 -2.448 -2.568 1.00 0.00 C ATOM 575 C PHE A 335 13.899 -2.512 -2.412 1.00 0.00 C ATOM 576 O PHE A 335 13.259 -3.449 -2.852 1.00 0.00 O ATOM 577 CB PHE A 335 15.818 -2.142 -4.022 1.00 0.00 C ATOM 578 CG PHE A 335 15.315 -3.230 -4.947 1.00 0.00 C ATOM 579 CD1 PHE A 335 14.018 -3.162 -5.467 1.00 0.00 C ATOM 580 CD2 PHE A 335 16.148 -4.304 -5.290 1.00 0.00 C ATOM 581 CE1 PHE A 335 13.552 -4.165 -6.325 1.00 0.00 C ATOM 582 CE2 PHE A 335 15.682 -5.307 -6.148 1.00 0.00 C ATOM 583 CZ PHE A 335 14.384 -5.237 -6.666 1.00 0.00 C ATOM 0 H PHE A 335 16.688 -4.128 -2.972 1.00 0.00 H new ATOM 0 HA PHE A 335 15.770 -1.670 -1.886 1.00 0.00 H new ATOM 0 HB2 PHE A 335 15.402 -1.180 -4.322 1.00 0.00 H new ATOM 0 HB3 PHE A 335 16.902 -2.060 -4.103 1.00 0.00 H new ATOM 0 HD1 PHE A 335 13.375 -2.334 -5.206 1.00 0.00 H new ATOM 0 HD2 PHE A 335 17.150 -4.358 -4.892 1.00 0.00 H new ATOM 0 HE1 PHE A 335 12.550 -4.111 -6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 335 16.324 -6.135 -6.410 1.00 0.00 H new ATOM 0 HZ PHE A 335 14.024 -6.010 -7.329 1.00 0.00 H new ATOM 593 N GLU A 336 13.320 -1.525 -1.777 1.00 0.00 N ATOM 594 CA GLU A 336 11.837 -1.518 -1.572 1.00 0.00 C ATOM 595 C GLU A 336 11.112 -1.472 -2.919 1.00 0.00 C ATOM 596 O GLU A 336 11.726 -1.540 -3.965 1.00 0.00 O ATOM 597 CB GLU A 336 11.548 -0.248 -0.768 1.00 0.00 C ATOM 598 CG GLU A 336 11.791 -0.518 0.718 1.00 0.00 C ATOM 599 CD GLU A 336 11.750 0.804 1.489 1.00 0.00 C ATOM 600 OE1 GLU A 336 12.701 1.561 1.380 1.00 0.00 O ATOM 601 OE2 GLU A 336 10.766 1.038 2.172 1.00 0.00 O ATOM 0 H GLU A 336 13.811 -0.720 -1.390 1.00 0.00 H new ATOM 0 HA GLU A 336 11.493 -2.415 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 336 12.188 0.565 -1.110 1.00 0.00 H new ATOM 0 HB3 GLU A 336 10.517 0.069 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 336 11.033 -1.200 1.104 1.00 0.00 H new ATOM 0 HG3 GLU A 336 12.757 -1.003 0.857 1.00 0.00 H new ATOM 608 N CYS A 337 9.808 -1.359 -2.899 1.00 0.00 N ATOM 609 CA CYS A 337 9.033 -1.308 -4.175 1.00 0.00 C ATOM 610 C CYS A 337 8.769 0.146 -4.584 1.00 0.00 C ATOM 611 O CYS A 337 7.811 0.439 -5.274 1.00 0.00 O ATOM 612 CB CYS A 337 7.721 -2.032 -3.865 1.00 0.00 C ATOM 613 SG CYS A 337 8.069 -3.767 -3.478 1.00 0.00 S ATOM 0 H CYS A 337 9.245 -1.300 -2.050 1.00 0.00 H new ATOM 0 HA CYS A 337 9.569 -1.771 -5.004 1.00 0.00 H new ATOM 0 HB2 CYS A 337 7.219 -1.554 -3.024 1.00 0.00 H new ATOM 0 HB3 CYS A 337 7.046 -1.966 -4.718 1.00 0.00 H new ATOM 618 N ASN A 338 9.614 1.056 -4.166 1.00 0.00 N ATOM 619 CA ASN A 338 9.420 2.493 -4.529 1.00 0.00 C ATOM 620 C ASN A 338 10.705 3.065 -5.133 1.00 0.00 C ATOM 621 O ASN A 338 10.970 4.249 -5.037 1.00 0.00 O ATOM 622 CB ASN A 338 9.095 3.193 -3.208 1.00 0.00 C ATOM 623 CG ASN A 338 7.793 2.628 -2.637 1.00 0.00 C ATOM 624 OD1 ASN A 338 7.728 2.278 -1.476 1.00 0.00 O ATOM 625 ND2 ASN A 338 6.748 2.523 -3.410 1.00 0.00 N ATOM 0 H ASN A 338 10.432 0.864 -3.587 1.00 0.00 H new ATOM 0 HA ASN A 338 8.632 2.628 -5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 338 9.909 3.048 -2.498 1.00 0.00 H new ATOM 0 HB3 ASN A 338 8.999 4.267 -3.368 1.00 0.00 H new ATOM 0 HD21 ASN A 338 5.875 2.147 -3.040 1.00 0.00 H new ATOM 0 HD22 ASN A 338 6.803 2.817 -4.385 1.00 0.00 H new ATOM 632 N LYS A 339 11.505 2.232 -5.751 1.00 0.00 N ATOM 633 CA LYS A 339 12.776 2.721 -6.361 1.00 0.00 C ATOM 634 C LYS A 339 12.633 2.827 -7.882 1.00 0.00 C ATOM 635 O LYS A 339 13.515 2.437 -8.624 1.00 0.00 O ATOM 636 CB LYS A 339 13.821 1.666 -5.993 1.00 0.00 C ATOM 637 CG LYS A 339 15.157 2.350 -5.696 1.00 0.00 C ATOM 638 CD LYS A 339 16.290 1.329 -5.807 1.00 0.00 C ATOM 639 CE LYS A 339 17.420 1.713 -4.848 1.00 0.00 C ATOM 640 NZ LYS A 339 18.416 0.613 -4.968 1.00 0.00 N ATOM 0 H LYS A 339 11.331 1.233 -5.859 1.00 0.00 H new ATOM 0 HA LYS A 339 13.050 3.713 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 339 13.490 1.099 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 339 13.939 0.955 -6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 339 15.322 3.169 -6.396 1.00 0.00 H new ATOM 0 HG3 LYS A 339 15.141 2.784 -4.696 1.00 0.00 H new ATOM 0 HD2 LYS A 339 15.920 0.332 -5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 339 16.663 1.294 -6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 339 17.858 2.674 -5.119 1.00 0.00 H new ATOM 0 HE3 LYS A 339 17.055 1.806 -3.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 339 19.172 0.751 -4.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 339 17.948 -0.300 -4.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 339 18.825 0.618 -5.924 1.00 0.00 H new ATOM 654 N LEU A 340 11.527 3.351 -8.347 1.00 0.00 N ATOM 655 CA LEU A 340 11.318 3.485 -9.820 1.00 0.00 C ATOM 656 C LEU A 340 11.890 4.815 -10.318 1.00 0.00 C ATOM 657 O LEU A 340 11.736 5.843 -9.685 1.00 0.00 O ATOM 658 CB LEU A 340 9.800 3.453 -10.011 1.00 0.00 C ATOM 659 CG LEU A 340 9.366 2.053 -10.449 1.00 0.00 C ATOM 660 CD1 LEU A 340 9.209 1.160 -9.216 1.00 0.00 C ATOM 661 CD2 LEU A 340 8.028 2.141 -11.189 1.00 0.00 C ATOM 0 H LEU A 340 10.759 3.692 -7.769 1.00 0.00 H new ATOM 0 HA LEU A 340 11.817 2.694 -10.379 1.00 0.00 H new ATOM 0 HB2 LEU A 340 9.301 3.725 -9.081 1.00 0.00 H new ATOM 0 HB3 LEU A 340 9.502 4.188 -10.759 1.00 0.00 H new ATOM 0 HG LEU A 340 10.120 1.629 -11.112 1.00 0.00 H new ATOM 0 HD11 LEU A 340 8.900 0.162 -9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 340 10.161 1.097 -8.689 1.00 0.00 H new ATOM 0 HD13 LEU A 340 8.454 1.584 -8.553 1.00 0.00 H new ATOM 0 HD21 LEU A 340 7.719 1.144 -11.501 1.00 0.00 H new ATOM 0 HD22 LEU A 340 7.273 2.564 -10.527 1.00 0.00 H new ATOM 0 HD23 LEU A 340 8.139 2.778 -12.067 1.00 0.00 H new ATOM 673 N VAL A 341 12.546 4.799 -11.451 1.00 0.00 N ATOM 674 CA VAL A 341 13.131 6.058 -12.003 1.00 0.00 C ATOM 675 C VAL A 341 12.924 6.110 -13.524 1.00 0.00 C ATOM 676 O VAL A 341 13.852 6.337 -14.278 1.00 0.00 O ATOM 677 CB VAL A 341 14.623 5.993 -11.647 1.00 0.00 C ATOM 678 CG1 VAL A 341 15.262 4.755 -12.284 1.00 0.00 C ATOM 679 CG2 VAL A 341 15.328 7.252 -12.160 1.00 0.00 C ATOM 0 H VAL A 341 12.702 3.966 -12.019 1.00 0.00 H new ATOM 0 HA VAL A 341 12.663 6.953 -11.594 1.00 0.00 H new ATOM 0 HB VAL A 341 14.727 5.931 -10.564 1.00 0.00 H new ATOM 0 HG11 VAL A 341 16.320 4.718 -12.026 1.00 0.00 H new ATOM 0 HG12 VAL A 341 14.766 3.858 -11.913 1.00 0.00 H new ATOM 0 HG13 VAL A 341 15.155 4.807 -13.367 1.00 0.00 H new ATOM 0 HG21 VAL A 341 16.387 7.205 -11.907 1.00 0.00 H new ATOM 0 HG22 VAL A 341 15.216 7.316 -13.242 1.00 0.00 H new ATOM 0 HG23 VAL A 341 14.883 8.133 -11.697 1.00 0.00 H new ATOM 689 N PHE A 342 11.713 5.899 -13.972 1.00 0.00 N ATOM 690 CA PHE A 342 11.433 5.933 -15.439 1.00 0.00 C ATOM 691 C PHE A 342 10.254 6.865 -15.731 1.00 0.00 C ATOM 692 O PHE A 342 10.396 7.868 -16.405 1.00 0.00 O ATOM 693 CB PHE A 342 11.081 4.492 -15.809 1.00 0.00 C ATOM 694 CG PHE A 342 11.635 4.168 -17.177 1.00 0.00 C ATOM 695 CD1 PHE A 342 13.019 4.055 -17.362 1.00 0.00 C ATOM 696 CD2 PHE A 342 10.767 3.978 -18.258 1.00 0.00 C ATOM 697 CE1 PHE A 342 13.533 3.753 -18.630 1.00 0.00 C ATOM 698 CE2 PHE A 342 11.280 3.676 -19.524 1.00 0.00 C ATOM 699 CZ PHE A 342 12.663 3.563 -19.710 1.00 0.00 C ATOM 0 H PHE A 342 10.903 5.704 -13.383 1.00 0.00 H new ATOM 0 HA PHE A 342 12.282 6.305 -16.013 1.00 0.00 H new ATOM 0 HB2 PHE A 342 11.491 3.806 -15.068 1.00 0.00 H new ATOM 0 HB3 PHE A 342 9.999 4.359 -15.803 1.00 0.00 H new ATOM 0 HD1 PHE A 342 13.689 4.201 -16.528 1.00 0.00 H new ATOM 0 HD2 PHE A 342 9.700 4.065 -18.115 1.00 0.00 H new ATOM 0 HE1 PHE A 342 14.600 3.667 -18.774 1.00 0.00 H new ATOM 0 HE2 PHE A 342 10.609 3.530 -20.358 1.00 0.00 H new ATOM 0 HZ PHE A 342 13.059 3.329 -20.687 1.00 0.00 H new ATOM 709 N GLU A 343 9.090 6.538 -15.227 1.00 0.00 N ATOM 710 CA GLU A 343 7.893 7.398 -15.471 1.00 0.00 C ATOM 711 C GLU A 343 7.085 7.596 -14.178 1.00 0.00 C ATOM 712 O GLU A 343 5.977 8.096 -14.211 1.00 0.00 O ATOM 713 CB GLU A 343 7.066 6.631 -16.502 1.00 0.00 C ATOM 714 CG GLU A 343 6.327 7.620 -17.406 1.00 0.00 C ATOM 715 CD GLU A 343 5.375 6.856 -18.328 1.00 0.00 C ATOM 716 OE1 GLU A 343 4.686 5.976 -17.837 1.00 0.00 O ATOM 717 OE2 GLU A 343 5.353 7.162 -19.509 1.00 0.00 O ATOM 0 H GLU A 343 8.918 5.711 -14.656 1.00 0.00 H new ATOM 0 HA GLU A 343 8.172 8.393 -15.817 1.00 0.00 H new ATOM 0 HB2 GLU A 343 7.715 5.991 -17.100 1.00 0.00 H new ATOM 0 HB3 GLU A 343 6.352 5.980 -15.998 1.00 0.00 H new ATOM 0 HG2 GLU A 343 5.769 8.335 -16.801 1.00 0.00 H new ATOM 0 HG3 GLU A 343 7.042 8.192 -17.997 1.00 0.00 H new ATOM 724 N LEU A 344 7.625 7.209 -13.045 1.00 0.00 N ATOM 725 CA LEU A 344 6.878 7.378 -11.762 1.00 0.00 C ATOM 726 C LEU A 344 7.436 8.572 -10.981 1.00 0.00 C ATOM 727 O LEU A 344 6.715 9.255 -10.277 1.00 0.00 O ATOM 728 CB LEU A 344 7.111 6.073 -10.993 1.00 0.00 C ATOM 729 CG LEU A 344 5.797 5.601 -10.366 1.00 0.00 C ATOM 730 CD1 LEU A 344 5.769 4.072 -10.326 1.00 0.00 C ATOM 731 CD2 LEU A 344 5.687 6.148 -8.941 1.00 0.00 C ATOM 0 H LEU A 344 8.548 6.785 -12.956 1.00 0.00 H new ATOM 0 HA LEU A 344 5.817 7.571 -11.922 1.00 0.00 H new ATOM 0 HB2 LEU A 344 7.500 5.308 -11.665 1.00 0.00 H new ATOM 0 HB3 LEU A 344 7.861 6.226 -10.217 1.00 0.00 H new ATOM 0 HG LEU A 344 4.960 5.964 -10.962 1.00 0.00 H new ATOM 0 HD11 LEU A 344 4.833 3.737 -9.879 1.00 0.00 H new ATOM 0 HD12 LEU A 344 5.848 3.680 -11.340 1.00 0.00 H new ATOM 0 HD13 LEU A 344 6.606 3.708 -9.730 1.00 0.00 H new ATOM 0 HD21 LEU A 344 4.751 5.812 -8.494 1.00 0.00 H new ATOM 0 HD22 LEU A 344 6.525 5.784 -8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 344 5.706 7.238 -8.967 1.00 0.00 H new ATOM 1585 N ASN A 398 7.227 6.658 2.820 1.00 0.00 N ATOM 1586 CA ASN A 398 6.991 5.464 1.955 1.00 0.00 C ATOM 1587 C ASN A 398 5.635 5.583 1.253 1.00 0.00 C ATOM 1588 O ASN A 398 4.750 6.280 1.712 1.00 0.00 O ATOM 1589 CB ASN A 398 6.991 4.274 2.916 1.00 0.00 C ATOM 1590 CG ASN A 398 8.414 3.727 3.053 1.00 0.00 C ATOM 1591 OD1 ASN A 398 9.195 3.791 2.124 1.00 0.00 O ATOM 1592 ND2 ASN A 398 8.785 3.186 4.181 1.00 0.00 N ATOM 0 HA ASN A 398 7.747 5.361 1.176 1.00 0.00 H new ATOM 0 HB2 ASN A 398 6.613 4.581 3.891 1.00 0.00 H new ATOM 0 HB3 ASN A 398 6.325 3.495 2.546 1.00 0.00 H new ATOM 0 HD21 ASN A 398 9.730 2.817 4.283 1.00 0.00 H new ATOM 0 HD22 ASN A 398 8.130 3.132 4.961 1.00 0.00 H new ATOM 1599 N TRP A 399 5.470 4.906 0.146 1.00 0.00 N ATOM 1600 CA TRP A 399 4.170 4.968 -0.593 1.00 0.00 C ATOM 1601 C TRP A 399 3.945 3.671 -1.372 1.00 0.00 C ATOM 1602 O TRP A 399 3.431 3.678 -2.474 1.00 0.00 O ATOM 1603 CB TRP A 399 4.286 6.166 -1.547 1.00 0.00 C ATOM 1604 CG TRP A 399 5.496 6.025 -2.420 1.00 0.00 C ATOM 1605 CD1 TRP A 399 6.747 6.411 -2.077 1.00 0.00 C ATOM 1606 CD2 TRP A 399 5.592 5.475 -3.767 1.00 0.00 C ATOM 1607 NE1 TRP A 399 7.604 6.130 -3.125 1.00 0.00 N ATOM 1608 CE2 TRP A 399 6.940 5.551 -4.188 1.00 0.00 C ATOM 1609 CE3 TRP A 399 4.651 4.920 -4.655 1.00 0.00 C ATOM 1610 CZ2 TRP A 399 7.343 5.095 -5.444 1.00 0.00 C ATOM 1611 CZ3 TRP A 399 5.052 4.460 -5.919 1.00 0.00 C ATOM 1612 CH2 TRP A 399 6.395 4.547 -6.312 1.00 0.00 C ATOM 0 H TRP A 399 6.180 4.311 -0.280 1.00 0.00 H new ATOM 0 HA TRP A 399 3.323 5.084 0.083 1.00 0.00 H new ATOM 0 HB2 TRP A 399 3.390 6.235 -2.165 1.00 0.00 H new ATOM 0 HB3 TRP A 399 4.350 7.091 -0.973 1.00 0.00 H new ATOM 0 HD1 TRP A 399 7.030 6.864 -1.138 1.00 0.00 H new ATOM 0 HE1 TRP A 399 8.605 6.327 -3.114 1.00 0.00 H new ATOM 0 HE3 TRP A 399 3.614 4.848 -4.362 1.00 0.00 H new ATOM 0 HZ2 TRP A 399 8.379 5.165 -5.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 399 4.322 4.037 -6.593 1.00 0.00 H new ATOM 0 HH2 TRP A 399 6.697 4.190 -7.286 1.00 0.00 H new ATOM 1623 N GLY A 400 4.322 2.555 -0.799 1.00 0.00 N ATOM 1624 CA GLY A 400 4.131 1.246 -1.491 1.00 0.00 C ATOM 1625 C GLY A 400 3.359 0.299 -0.572 1.00 0.00 C ATOM 1626 O GLY A 400 3.447 0.391 0.638 1.00 0.00 O ATOM 0 H GLY A 400 4.756 2.496 0.122 1.00 0.00 H new ATOM 0 HA2 GLY A 400 3.587 1.391 -2.424 1.00 0.00 H new ATOM 0 HA3 GLY A 400 5.097 0.813 -1.750 1.00 0.00 H new ATOM 1630 N ASN A 401 2.603 -0.612 -1.135 1.00 0.00 N ATOM 1631 CA ASN A 401 1.822 -1.567 -0.291 1.00 0.00 C ATOM 1632 C ASN A 401 2.423 -2.971 -0.374 1.00 0.00 C ATOM 1633 O ASN A 401 3.061 -3.329 -1.349 1.00 0.00 O ATOM 1634 CB ASN A 401 0.400 -1.553 -0.863 1.00 0.00 C ATOM 1635 CG ASN A 401 0.422 -1.958 -2.340 1.00 0.00 C ATOM 1636 OD1 ASN A 401 0.606 -3.115 -2.661 1.00 0.00 O ATOM 1637 ND2 ASN A 401 0.238 -1.047 -3.257 1.00 0.00 N ATOM 0 H ASN A 401 2.494 -0.735 -2.142 1.00 0.00 H new ATOM 0 HA ASN A 401 1.835 -1.281 0.761 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -0.234 -2.238 -0.300 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -0.033 -0.558 -0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 401 0.249 -1.307 -4.243 1.00 0.00 H new ATOM 0 HD22 ASN A 401 0.084 -0.076 -2.987 1.00 0.00 H new ATOM 1644 N TYR A 402 2.221 -3.768 0.644 1.00 0.00 N ATOM 1645 CA TYR A 402 2.776 -5.153 0.636 1.00 0.00 C ATOM 1646 C TYR A 402 1.680 -6.165 0.979 1.00 0.00 C ATOM 1647 O TYR A 402 0.777 -5.883 1.746 1.00 0.00 O ATOM 1648 CB TYR A 402 3.863 -5.161 1.717 1.00 0.00 C ATOM 1649 CG TYR A 402 4.919 -4.126 1.401 1.00 0.00 C ATOM 1650 CD1 TYR A 402 5.820 -4.339 0.351 1.00 0.00 C ATOM 1651 CD2 TYR A 402 4.999 -2.954 2.164 1.00 0.00 C ATOM 1652 CE1 TYR A 402 6.800 -3.381 0.063 1.00 0.00 C ATOM 1653 CE2 TYR A 402 5.977 -1.996 1.875 1.00 0.00 C ATOM 1654 CZ TYR A 402 6.877 -2.209 0.826 1.00 0.00 C ATOM 1655 OH TYR A 402 7.843 -1.265 0.543 1.00 0.00 O ATOM 0 H TYR A 402 1.695 -3.518 1.481 1.00 0.00 H new ATOM 0 HA TYR A 402 3.172 -5.427 -0.342 1.00 0.00 H new ATOM 0 HB2 TYR A 402 3.420 -4.954 2.691 1.00 0.00 H new ATOM 0 HB3 TYR A 402 4.318 -6.149 1.778 1.00 0.00 H new ATOM 0 HD1 TYR A 402 5.759 -5.243 -0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 402 4.306 -2.790 2.976 1.00 0.00 H new ATOM 0 HE1 TYR A 402 7.496 -3.546 -0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 402 6.037 -1.092 2.462 1.00 0.00 H new ATOM 0 HH TYR A 402 7.757 -0.513 1.165 1.00 0.00 H new ATOM 1665 N ASN A 403 1.763 -7.344 0.420 1.00 0.00 N ATOM 1666 CA ASN A 403 0.744 -8.394 0.710 1.00 0.00 C ATOM 1667 C ASN A 403 1.452 -9.648 1.225 1.00 0.00 C ATOM 1668 O ASN A 403 2.269 -10.231 0.536 1.00 0.00 O ATOM 1669 CB ASN A 403 0.060 -8.672 -0.630 1.00 0.00 C ATOM 1670 CG ASN A 403 -1.285 -7.942 -0.681 1.00 0.00 C ATOM 1671 OD1 ASN A 403 -2.320 -8.562 -0.822 1.00 0.00 O ATOM 1672 ND2 ASN A 403 -1.313 -6.642 -0.570 1.00 0.00 N ATOM 0 H ASN A 403 2.498 -7.626 -0.229 1.00 0.00 H new ATOM 0 HA ASN A 403 0.023 -8.087 1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 403 0.697 -8.341 -1.450 1.00 0.00 H new ATOM 0 HB3 ASN A 403 -0.091 -9.744 -0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 403 -2.204 -6.147 -0.602 1.00 0.00 H new ATOM 0 HD22 ASN A 403 -0.444 -6.121 -0.452 1.00 0.00 H new ATOM 1679 N THR A 404 1.163 -10.058 2.436 1.00 0.00 N ATOM 1680 CA THR A 404 1.845 -11.265 2.994 1.00 0.00 C ATOM 1681 C THR A 404 1.060 -12.538 2.668 1.00 0.00 C ATOM 1682 O THR A 404 0.292 -13.030 3.472 1.00 0.00 O ATOM 1683 CB THR A 404 1.896 -11.046 4.511 1.00 0.00 C ATOM 1684 OG1 THR A 404 0.570 -10.982 5.031 1.00 0.00 O ATOM 1685 CG2 THR A 404 2.645 -9.745 4.822 1.00 0.00 C ATOM 0 H THR A 404 0.489 -9.612 3.058 1.00 0.00 H new ATOM 0 HA THR A 404 2.839 -11.391 2.566 1.00 0.00 H new ATOM 0 HB THR A 404 2.422 -11.878 4.978 1.00 0.00 H new ATOM 0 HG1 THR A 404 0.026 -11.690 4.627 1.00 0.00 H new ATOM 0 HG21 THR A 404 2.679 -9.594 5.901 1.00 0.00 H new ATOM 0 HG22 THR A 404 3.661 -9.808 4.433 1.00 0.00 H new ATOM 0 HG23 THR A 404 2.128 -8.907 4.354 1.00 0.00 H new ATOM 1693 N GLU A 405 1.279 -13.088 1.501 1.00 0.00 N ATOM 1694 CA GLU A 405 0.584 -14.351 1.116 1.00 0.00 C ATOM 1695 C GLU A 405 1.634 -15.411 0.782 1.00 0.00 C ATOM 1696 O GLU A 405 1.800 -16.387 1.489 1.00 0.00 O ATOM 1697 CB GLU A 405 -0.237 -13.996 -0.125 1.00 0.00 C ATOM 1698 CG GLU A 405 -1.687 -13.726 0.280 1.00 0.00 C ATOM 1699 CD GLU A 405 -2.572 -13.718 -0.969 1.00 0.00 C ATOM 1700 OE1 GLU A 405 -2.298 -12.931 -1.860 1.00 0.00 O ATOM 1701 OE2 GLU A 405 -3.508 -14.499 -1.012 1.00 0.00 O ATOM 0 H GLU A 405 1.913 -12.714 0.795 1.00 0.00 H new ATOM 0 HA GLU A 405 -0.049 -14.747 1.910 1.00 0.00 H new ATOM 0 HB2 GLU A 405 0.185 -13.117 -0.613 1.00 0.00 H new ATOM 0 HB3 GLU A 405 -0.196 -14.812 -0.846 1.00 0.00 H new ATOM 0 HG2 GLU A 405 -2.030 -14.491 0.977 1.00 0.00 H new ATOM 0 HG3 GLU A 405 -1.759 -12.769 0.796 1.00 0.00 H new ATOM 1708 N THR A 406 2.360 -15.201 -0.284 1.00 0.00 N ATOM 1709 CA THR A 406 3.431 -16.159 -0.681 1.00 0.00 C ATOM 1710 C THR A 406 4.771 -15.417 -0.755 1.00 0.00 C ATOM 1711 O THR A 406 5.663 -15.637 0.040 1.00 0.00 O ATOM 1712 CB THR A 406 3.013 -16.680 -2.060 1.00 0.00 C ATOM 1713 OG1 THR A 406 1.749 -17.320 -1.958 1.00 0.00 O ATOM 1714 CG2 THR A 406 4.053 -17.681 -2.570 1.00 0.00 C ATOM 0 H THR A 406 2.255 -14.397 -0.903 1.00 0.00 H new ATOM 0 HA THR A 406 3.553 -16.977 0.029 1.00 0.00 H new ATOM 0 HB THR A 406 2.945 -15.845 -2.758 1.00 0.00 H new ATOM 0 HG1 THR A 406 1.479 -17.653 -2.839 1.00 0.00 H new ATOM 0 HG21 THR A 406 3.753 -18.050 -3.551 1.00 0.00 H new ATOM 0 HG22 THR A 406 5.023 -17.190 -2.648 1.00 0.00 H new ATOM 0 HG23 THR A 406 4.125 -18.517 -1.875 1.00 0.00 H new ATOM 1722 N GLN A 407 4.906 -14.530 -1.713 1.00 0.00 N ATOM 1723 CA GLN A 407 6.173 -13.745 -1.871 1.00 0.00 C ATOM 1724 C GLN A 407 6.002 -12.737 -3.012 1.00 0.00 C ATOM 1725 O GLN A 407 6.542 -12.909 -4.089 1.00 0.00 O ATOM 1726 CB GLN A 407 7.257 -14.772 -2.224 1.00 0.00 C ATOM 1727 CG GLN A 407 8.618 -14.259 -1.750 1.00 0.00 C ATOM 1728 CD GLN A 407 9.727 -14.967 -2.531 1.00 0.00 C ATOM 1729 OE1 GLN A 407 10.087 -16.084 -2.217 1.00 0.00 O ATOM 1730 NE2 GLN A 407 10.284 -14.361 -3.542 1.00 0.00 N ATOM 0 H GLN A 407 4.184 -14.314 -2.400 1.00 0.00 H new ATOM 0 HA GLN A 407 6.433 -13.190 -0.969 1.00 0.00 H new ATOM 0 HB2 GLN A 407 7.033 -15.729 -1.754 1.00 0.00 H new ATOM 0 HB3 GLN A 407 7.275 -14.942 -3.300 1.00 0.00 H new ATOM 0 HG2 GLN A 407 8.685 -13.181 -1.898 1.00 0.00 H new ATOM 0 HG3 GLN A 407 8.736 -14.442 -0.682 1.00 0.00 H new ATOM 0 HE21 GLN A 407 9.981 -13.423 -3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 407 11.023 -14.825 -4.070 1.00 0.00 H new ATOM 1739 N LYS A 408 5.237 -11.695 -2.790 1.00 0.00 N ATOM 1740 CA LYS A 408 5.013 -10.686 -3.870 1.00 0.00 C ATOM 1741 C LYS A 408 4.773 -9.291 -3.278 1.00 0.00 C ATOM 1742 O LYS A 408 4.234 -9.147 -2.198 1.00 0.00 O ATOM 1743 CB LYS A 408 3.761 -11.182 -4.598 1.00 0.00 C ATOM 1744 CG LYS A 408 3.450 -10.265 -5.782 1.00 0.00 C ATOM 1745 CD LYS A 408 1.972 -10.402 -6.155 1.00 0.00 C ATOM 1746 CE LYS A 408 1.741 -11.746 -6.848 1.00 0.00 C ATOM 1747 NZ LYS A 408 0.378 -11.645 -7.438 1.00 0.00 N ATOM 0 H LYS A 408 4.760 -11.501 -1.910 1.00 0.00 H new ATOM 0 HA LYS A 408 5.874 -10.592 -4.531 1.00 0.00 H new ATOM 0 HB2 LYS A 408 3.914 -12.203 -4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 408 2.915 -11.203 -3.911 1.00 0.00 H new ATOM 0 HG2 LYS A 408 3.677 -9.230 -5.525 1.00 0.00 H new ATOM 0 HG3 LYS A 408 4.077 -10.527 -6.634 1.00 0.00 H new ATOM 0 HD2 LYS A 408 1.353 -10.331 -5.261 1.00 0.00 H new ATOM 0 HD3 LYS A 408 1.675 -9.586 -6.814 1.00 0.00 H new ATOM 0 HE2 LYS A 408 2.492 -11.928 -7.617 1.00 0.00 H new ATOM 0 HE3 LYS A 408 1.804 -12.572 -6.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 0.079 -12.580 -7.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -0.290 -11.313 -6.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 0.392 -10.972 -8.231 1.00 0.00 H new ATOM 1761 N CYS A 409 5.162 -8.266 -3.995 1.00 0.00 N ATOM 1762 CA CYS A 409 4.956 -6.870 -3.505 1.00 0.00 C ATOM 1763 C CYS A 409 4.062 -6.115 -4.497 1.00 0.00 C ATOM 1764 O CYS A 409 3.904 -6.530 -5.630 1.00 0.00 O ATOM 1765 CB CYS A 409 6.364 -6.264 -3.454 1.00 0.00 C ATOM 1766 SG CYS A 409 6.284 -4.532 -2.920 1.00 0.00 S ATOM 0 H CYS A 409 5.617 -8.338 -4.905 1.00 0.00 H new ATOM 0 HA CYS A 409 4.467 -6.821 -2.532 1.00 0.00 H new ATOM 0 HB2 CYS A 409 6.989 -6.835 -2.767 1.00 0.00 H new ATOM 0 HB3 CYS A 409 6.831 -6.328 -4.437 1.00 0.00 H new ATOM 1771 N GLU A 410 3.474 -5.019 -4.083 1.00 0.00 N ATOM 1772 CA GLU A 410 2.586 -4.250 -5.010 1.00 0.00 C ATOM 1773 C GLU A 410 2.647 -2.751 -4.701 1.00 0.00 C ATOM 1774 O GLU A 410 3.055 -2.344 -3.628 1.00 0.00 O ATOM 1775 CB GLU A 410 1.180 -4.794 -4.750 1.00 0.00 C ATOM 1776 CG GLU A 410 0.835 -5.855 -5.799 1.00 0.00 C ATOM 1777 CD GLU A 410 -0.030 -6.942 -5.159 1.00 0.00 C ATOM 1778 OE1 GLU A 410 0.248 -7.304 -4.027 1.00 0.00 O ATOM 1779 OE2 GLU A 410 -0.955 -7.397 -5.812 1.00 0.00 O ATOM 0 H GLU A 410 3.570 -4.625 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 410 2.886 -4.365 -6.052 1.00 0.00 H new ATOM 0 HB2 GLU A 410 1.126 -5.226 -3.751 1.00 0.00 H new ATOM 0 HB3 GLU A 410 0.453 -3.983 -4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 410 0.304 -5.397 -6.634 1.00 0.00 H new ATOM 0 HG3 GLU A 410 1.748 -6.293 -6.203 1.00 0.00 H new ATOM 1786 N ILE A 411 2.238 -1.930 -5.636 1.00 0.00 N ATOM 1787 CA ILE A 411 2.262 -0.453 -5.409 1.00 0.00 C ATOM 1788 C ILE A 411 1.055 0.207 -6.087 1.00 0.00 C ATOM 1789 O ILE A 411 0.306 -0.432 -6.801 1.00 0.00 O ATOM 1790 CB ILE A 411 3.577 0.033 -6.032 1.00 0.00 C ATOM 1791 CG1 ILE A 411 3.609 -0.311 -7.531 1.00 0.00 C ATOM 1792 CG2 ILE A 411 4.753 -0.647 -5.327 1.00 0.00 C ATOM 1793 CD1 ILE A 411 3.307 0.944 -8.352 1.00 0.00 C ATOM 0 H ILE A 411 1.888 -2.220 -6.549 1.00 0.00 H new ATOM 0 HA ILE A 411 2.205 -0.198 -4.351 1.00 0.00 H new ATOM 0 HB ILE A 411 3.652 1.114 -5.914 1.00 0.00 H new ATOM 0 HG12 ILE A 411 4.587 -0.709 -7.802 1.00 0.00 H new ATOM 0 HG13 ILE A 411 2.877 -1.087 -7.752 1.00 0.00 H new ATOM 0 HG21 ILE A 411 5.689 -0.304 -5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 411 4.737 -0.395 -4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 411 4.672 -1.728 -5.444 1.00 0.00 H new ATOM 0 HD11 ILE A 411 3.330 0.698 -9.414 1.00 0.00 H new ATOM 0 HD12 ILE A 411 2.319 1.322 -8.088 1.00 0.00 H new ATOM 0 HD13 ILE A 411 4.056 1.707 -8.140 1.00 0.00 H new ATOM 1805 N PHE A 412 0.861 1.481 -5.858 1.00 0.00 N ATOM 1806 CA PHE A 412 -0.297 2.199 -6.474 1.00 0.00 C ATOM 1807 C PHE A 412 -0.118 3.710 -6.284 1.00 0.00 C ATOM 1808 O PHE A 412 -0.624 4.290 -5.342 1.00 0.00 O ATOM 1809 CB PHE A 412 -1.523 1.680 -5.711 1.00 0.00 C ATOM 1810 CG PHE A 412 -2.778 2.377 -6.184 1.00 0.00 C ATOM 1811 CD1 PHE A 412 -3.454 1.912 -7.318 1.00 0.00 C ATOM 1812 CD2 PHE A 412 -3.270 3.484 -5.482 1.00 0.00 C ATOM 1813 CE1 PHE A 412 -4.621 2.553 -7.750 1.00 0.00 C ATOM 1814 CE2 PHE A 412 -4.438 4.125 -5.913 1.00 0.00 C ATOM 1815 CZ PHE A 412 -5.113 3.658 -7.047 1.00 0.00 C ATOM 0 H PHE A 412 1.459 2.059 -5.267 1.00 0.00 H new ATOM 0 HA PHE A 412 -0.393 2.026 -7.546 1.00 0.00 H new ATOM 0 HB2 PHE A 412 -1.621 0.604 -5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 412 -1.390 1.845 -4.642 1.00 0.00 H new ATOM 0 HD1 PHE A 412 -3.075 1.058 -7.860 1.00 0.00 H new ATOM 0 HD2 PHE A 412 -2.748 3.844 -4.607 1.00 0.00 H new ATOM 0 HE1 PHE A 412 -5.141 2.195 -8.626 1.00 0.00 H new ATOM 0 HE2 PHE A 412 -4.818 4.979 -5.371 1.00 0.00 H new ATOM 0 HZ PHE A 412 -6.014 4.151 -7.380 1.00 0.00 H new ATOM 1825 N ASN A 413 0.612 4.344 -7.168 1.00 0.00 N ATOM 1826 CA ASN A 413 0.847 5.816 -7.040 1.00 0.00 C ATOM 1827 C ASN A 413 -0.175 6.612 -7.862 1.00 0.00 C ATOM 1828 O ASN A 413 0.109 7.702 -8.325 1.00 0.00 O ATOM 1829 CB ASN A 413 2.268 6.045 -7.569 1.00 0.00 C ATOM 1830 CG ASN A 413 2.364 5.602 -9.033 1.00 0.00 C ATOM 1831 OD1 ASN A 413 2.729 4.479 -9.318 1.00 0.00 O ATOM 1832 ND2 ASN A 413 2.054 6.446 -9.979 1.00 0.00 N ATOM 0 H ASN A 413 1.056 3.905 -7.974 1.00 0.00 H new ATOM 0 HA ASN A 413 0.737 6.153 -6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 413 2.531 7.099 -7.482 1.00 0.00 H new ATOM 0 HB3 ASN A 413 2.983 5.487 -6.965 1.00 0.00 H new ATOM 0 HD21 ASN A 413 2.118 6.162 -10.957 1.00 0.00 H new ATOM 0 HD22 ASN A 413 1.747 7.389 -9.741 1.00 0.00 H new ATOM 1839 N VAL A 414 -1.361 6.085 -8.036 1.00 0.00 N ATOM 1840 CA VAL A 414 -2.405 6.821 -8.818 1.00 0.00 C ATOM 1841 C VAL A 414 -2.730 8.144 -8.114 1.00 0.00 C ATOM 1842 O VAL A 414 -2.303 8.374 -6.998 1.00 0.00 O ATOM 1843 CB VAL A 414 -3.625 5.891 -8.828 1.00 0.00 C ATOM 1844 CG1 VAL A 414 -4.770 6.539 -9.609 1.00 0.00 C ATOM 1845 CG2 VAL A 414 -3.250 4.565 -9.495 1.00 0.00 C ATOM 0 H VAL A 414 -1.653 5.178 -7.671 1.00 0.00 H new ATOM 0 HA VAL A 414 -2.083 7.065 -9.830 1.00 0.00 H new ATOM 0 HB VAL A 414 -3.944 5.712 -7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 414 -5.632 5.872 -9.611 1.00 0.00 H new ATOM 0 HG12 VAL A 414 -5.043 7.483 -9.138 1.00 0.00 H new ATOM 0 HG13 VAL A 414 -4.452 6.724 -10.635 1.00 0.00 H new ATOM 0 HG21 VAL A 414 -4.116 3.904 -9.502 1.00 0.00 H new ATOM 0 HG22 VAL A 414 -2.927 4.751 -10.519 1.00 0.00 H new ATOM 0 HG23 VAL A 414 -2.439 4.094 -8.939 1.00 0.00 H new ATOM 1855 N LYS A 415 -3.472 9.018 -8.754 1.00 0.00 N ATOM 1856 CA LYS A 415 -3.821 10.338 -8.122 1.00 0.00 C ATOM 1857 C LYS A 415 -4.356 10.143 -6.689 1.00 0.00 C ATOM 1858 O LYS A 415 -4.959 9.130 -6.395 1.00 0.00 O ATOM 1859 CB LYS A 415 -4.914 10.930 -9.015 1.00 0.00 C ATOM 1860 CG LYS A 415 -4.291 11.912 -10.010 1.00 0.00 C ATOM 1861 CD LYS A 415 -5.404 12.642 -10.766 1.00 0.00 C ATOM 1862 CE LYS A 415 -4.939 14.055 -11.125 1.00 0.00 C ATOM 1863 NZ LYS A 415 -6.028 14.612 -11.974 1.00 0.00 N ATOM 0 H LYS A 415 -3.853 8.876 -9.689 1.00 0.00 H new ATOM 0 HA LYS A 415 -2.949 10.987 -8.044 1.00 0.00 H new ATOM 0 HB2 LYS A 415 -5.431 10.133 -9.550 1.00 0.00 H new ATOM 0 HB3 LYS A 415 -5.660 11.440 -8.405 1.00 0.00 H new ATOM 0 HG2 LYS A 415 -3.662 12.630 -9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 415 -3.649 11.379 -10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 415 -5.664 12.093 -11.671 1.00 0.00 H new ATOM 0 HD3 LYS A 415 -6.304 12.689 -10.153 1.00 0.00 H new ATOM 0 HE2 LYS A 415 -4.786 14.660 -10.231 1.00 0.00 H new ATOM 0 HE3 LYS A 415 -3.991 14.034 -11.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 415 -5.783 15.581 -12.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 415 -6.146 14.019 -12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 415 -6.917 14.625 -11.434 1.00 0.00 H new ATOM 1877 N PRO A 416 -4.116 11.118 -5.837 1.00 0.00 N ATOM 1878 CA PRO A 416 -4.585 11.020 -4.433 1.00 0.00 C ATOM 1879 C PRO A 416 -6.107 11.177 -4.365 1.00 0.00 C ATOM 1880 O PRO A 416 -6.649 12.212 -4.701 1.00 0.00 O ATOM 1881 CB PRO A 416 -3.885 12.181 -3.732 1.00 0.00 C ATOM 1882 CG PRO A 416 -3.591 13.168 -4.815 1.00 0.00 C ATOM 1883 CD PRO A 416 -3.400 12.382 -6.086 1.00 0.00 C ATOM 0 HA PRO A 416 -4.358 10.057 -3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 416 -4.521 12.618 -2.962 1.00 0.00 H new ATOM 0 HB3 PRO A 416 -2.970 11.851 -3.240 1.00 0.00 H new ATOM 0 HG2 PRO A 416 -4.410 13.880 -4.921 1.00 0.00 H new ATOM 0 HG3 PRO A 416 -2.696 13.744 -4.579 1.00 0.00 H new ATOM 0 HD2 PRO A 416 -3.810 12.910 -6.947 1.00 0.00 H new ATOM 0 HD3 PRO A 416 -2.344 12.208 -6.292 1.00 0.00 H new ATOM 1891 N THR A 417 -6.795 10.152 -3.928 1.00 0.00 N ATOM 1892 CA THR A 417 -8.285 10.227 -3.831 1.00 0.00 C ATOM 1893 C THR A 417 -8.829 9.033 -3.040 1.00 0.00 C ATOM 1894 O THR A 417 -9.741 9.170 -2.247 1.00 0.00 O ATOM 1895 CB THR A 417 -8.789 10.197 -5.280 1.00 0.00 C ATOM 1896 OG1 THR A 417 -10.209 10.237 -5.281 1.00 0.00 O ATOM 1897 CG2 THR A 417 -8.315 8.919 -5.976 1.00 0.00 C ATOM 0 H THR A 417 -6.388 9.264 -3.634 1.00 0.00 H new ATOM 0 HA THR A 417 -8.616 11.125 -3.310 1.00 0.00 H new ATOM 0 HB THR A 417 -8.393 11.060 -5.816 1.00 0.00 H new ATOM 0 HG1 THR A 417 -10.536 10.220 -6.205 1.00 0.00 H new ATOM 0 HG21 THR A 417 -8.678 8.908 -7.004 1.00 0.00 H new ATOM 0 HG22 THR A 417 -7.225 8.887 -5.976 1.00 0.00 H new ATOM 0 HG23 THR A 417 -8.703 8.050 -5.445 1.00 0.00 H new ATOM 1905 N CYS A 418 -8.276 7.863 -3.252 1.00 0.00 N ATOM 1906 CA CYS A 418 -8.761 6.657 -2.516 1.00 0.00 C ATOM 1907 C CYS A 418 -7.579 5.802 -2.050 1.00 0.00 C ATOM 1908 O CYS A 418 -6.478 5.922 -2.553 1.00 0.00 O ATOM 1909 CB CYS A 418 -9.607 5.887 -3.531 1.00 0.00 C ATOM 1910 SG CYS A 418 -10.442 4.514 -2.697 1.00 0.00 S ATOM 0 H CYS A 418 -7.510 7.693 -3.903 1.00 0.00 H new ATOM 0 HA CYS A 418 -9.329 6.923 -1.625 1.00 0.00 H new ATOM 0 HB2 CYS A 418 -10.341 6.551 -3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 418 -8.976 5.509 -4.335 1.00 0.00 H new ATOM 1915 N LEU A 419 -7.810 4.935 -1.098 1.00 0.00 N ATOM 1916 CA LEU A 419 -6.715 4.055 -0.592 1.00 0.00 C ATOM 1917 C LEU A 419 -7.247 2.634 -0.367 1.00 0.00 C ATOM 1918 O LEU A 419 -8.214 2.429 0.340 1.00 0.00 O ATOM 1919 CB LEU A 419 -6.258 4.691 0.728 1.00 0.00 C ATOM 1920 CG LEU A 419 -7.429 4.770 1.718 1.00 0.00 C ATOM 1921 CD1 LEU A 419 -7.374 3.577 2.675 1.00 0.00 C ATOM 1922 CD2 LEU A 419 -7.328 6.068 2.524 1.00 0.00 C ATOM 0 H LEU A 419 -8.715 4.798 -0.647 1.00 0.00 H new ATOM 0 HA LEU A 419 -5.888 3.973 -1.298 1.00 0.00 H new ATOM 0 HB2 LEU A 419 -5.447 4.104 1.160 1.00 0.00 H new ATOM 0 HB3 LEU A 419 -5.864 5.690 0.541 1.00 0.00 H new ATOM 0 HG LEU A 419 -8.369 4.752 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 419 -8.206 3.635 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 419 -7.444 2.650 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 419 -6.433 3.595 3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 419 -8.159 6.125 3.227 1.00 0.00 H new ATOM 0 HD22 LEU A 419 -6.386 6.083 3.073 1.00 0.00 H new ATOM 0 HD23 LEU A 419 -7.367 6.921 1.846 1.00 0.00 H new ATOM 1934 N ILE A 420 -6.626 1.654 -0.978 1.00 0.00 N ATOM 1935 CA ILE A 420 -7.095 0.242 -0.814 1.00 0.00 C ATOM 1936 C ILE A 420 -6.595 -0.338 0.515 1.00 0.00 C ATOM 1937 O ILE A 420 -5.713 0.210 1.148 1.00 0.00 O ATOM 1938 CB ILE A 420 -6.504 -0.520 -2.009 1.00 0.00 C ATOM 1939 CG1 ILE A 420 -6.968 -1.981 -1.960 1.00 0.00 C ATOM 1940 CG2 ILE A 420 -4.968 -0.465 -1.970 1.00 0.00 C ATOM 1941 CD1 ILE A 420 -6.928 -2.579 -3.367 1.00 0.00 C ATOM 0 H ILE A 420 -5.814 1.771 -1.584 1.00 0.00 H new ATOM 0 HA ILE A 420 -8.182 0.169 -0.791 1.00 0.00 H new ATOM 0 HB ILE A 420 -6.849 -0.055 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 420 -6.326 -2.555 -1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 420 -7.979 -2.039 -1.558 1.00 0.00 H new ATOM 0 HG21 ILE A 420 -4.563 -1.009 -2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -4.640 0.574 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -4.611 -0.920 -1.046 1.00 0.00 H new ATOM 0 HD11 ILE A 420 -7.258 -3.617 -3.331 1.00 0.00 H new ATOM 0 HD12 ILE A 420 -7.588 -2.011 -4.023 1.00 0.00 H new ATOM 0 HD13 ILE A 420 -5.909 -2.535 -3.752 1.00 0.00 H new ATOM 1953 N ASN A 421 -7.158 -1.444 0.939 1.00 0.00 N ATOM 1954 CA ASN A 421 -6.725 -2.066 2.227 1.00 0.00 C ATOM 1955 C ASN A 421 -5.511 -2.970 1.998 1.00 0.00 C ATOM 1956 O ASN A 421 -5.644 -4.141 1.697 1.00 0.00 O ATOM 1957 CB ASN A 421 -7.926 -2.889 2.694 1.00 0.00 C ATOM 1958 CG ASN A 421 -7.814 -3.149 4.198 1.00 0.00 C ATOM 1959 OD1 ASN A 421 -6.865 -3.758 4.652 1.00 0.00 O ATOM 1960 ND2 ASN A 421 -8.749 -2.711 4.995 1.00 0.00 N ATOM 0 H ASN A 421 -7.900 -1.942 0.447 1.00 0.00 H new ATOM 0 HA ASN A 421 -6.430 -1.321 2.966 1.00 0.00 H new ATOM 0 HB2 ASN A 421 -8.852 -2.358 2.474 1.00 0.00 H new ATOM 0 HB3 ASN A 421 -7.965 -3.834 2.153 1.00 0.00 H new ATOM 0 HD21 ASN A 421 -8.684 -2.880 5.999 1.00 0.00 H new ATOM 0 HD22 ASN A 421 -9.545 -2.200 4.614 1.00 0.00 H new ATOM 1967 N ASN A 422 -4.328 -2.430 2.141 1.00 0.00 N ATOM 1968 CA ASN A 422 -3.091 -3.243 1.935 1.00 0.00 C ATOM 1969 C ASN A 422 -2.023 -2.827 2.952 1.00 0.00 C ATOM 1970 O ASN A 422 -2.177 -1.842 3.650 1.00 0.00 O ATOM 1971 CB ASN A 422 -2.635 -2.926 0.506 1.00 0.00 C ATOM 1972 CG ASN A 422 -2.450 -1.412 0.331 1.00 0.00 C ATOM 1973 OD1 ASN A 422 -2.373 -0.678 1.296 1.00 0.00 O ATOM 1974 ND2 ASN A 422 -2.376 -0.912 -0.873 1.00 0.00 N ATOM 0 H ASN A 422 -4.165 -1.455 2.393 1.00 0.00 H new ATOM 0 HA ASN A 422 -3.265 -4.310 2.071 1.00 0.00 H new ATOM 0 HB2 ASN A 422 -1.698 -3.441 0.293 1.00 0.00 H new ATOM 0 HB3 ASN A 422 -3.371 -3.295 -0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 422 -2.254 0.092 -1.001 1.00 0.00 H new ATOM 0 HD22 ASN A 422 -2.440 -1.526 -1.685 1.00 0.00 H new ATOM 1981 N SER A 423 -0.944 -3.568 3.041 1.00 0.00 N ATOM 1982 CA SER A 423 0.131 -3.206 4.015 1.00 0.00 C ATOM 1983 C SER A 423 1.034 -2.128 3.414 1.00 0.00 C ATOM 1984 O SER A 423 2.097 -2.417 2.898 1.00 0.00 O ATOM 1985 CB SER A 423 0.917 -4.497 4.247 1.00 0.00 C ATOM 1986 OG SER A 423 0.013 -5.593 4.330 1.00 0.00 O ATOM 0 H SER A 423 -0.763 -4.403 2.484 1.00 0.00 H new ATOM 0 HA SER A 423 -0.271 -2.808 4.947 1.00 0.00 H new ATOM 0 HB2 SER A 423 1.625 -4.656 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 423 1.499 -4.421 5.165 1.00 0.00 H new ATOM 0 HG SER A 423 -0.011 -6.063 3.470 1.00 0.00 H new ATOM 1992 N SER A 424 0.612 -0.890 3.469 1.00 0.00 N ATOM 1993 CA SER A 424 1.438 0.211 2.893 1.00 0.00 C ATOM 1994 C SER A 424 1.666 1.312 3.931 1.00 0.00 C ATOM 1995 O SER A 424 1.464 1.116 5.115 1.00 0.00 O ATOM 1996 CB SER A 424 0.618 0.742 1.718 1.00 0.00 C ATOM 1997 OG SER A 424 -0.445 1.549 2.209 1.00 0.00 O ATOM 0 H SER A 424 -0.270 -0.595 3.889 1.00 0.00 H new ATOM 0 HA SER A 424 2.425 -0.134 2.583 1.00 0.00 H new ATOM 0 HB2 SER A 424 1.253 1.325 1.051 1.00 0.00 H new ATOM 0 HB3 SER A 424 0.219 -0.088 1.134 1.00 0.00 H new ATOM 0 HG SER A 424 -1.299 1.091 2.061 1.00 0.00 H new ATOM 2003 N TYR A 425 2.087 2.467 3.488 1.00 0.00 N ATOM 2004 CA TYR A 425 2.337 3.598 4.429 1.00 0.00 C ATOM 2005 C TYR A 425 2.530 4.895 3.639 1.00 0.00 C ATOM 2006 O TYR A 425 3.537 5.566 3.764 1.00 0.00 O ATOM 2007 CB TYR A 425 3.621 3.218 5.169 1.00 0.00 C ATOM 2008 CG TYR A 425 3.808 4.131 6.356 1.00 0.00 C ATOM 2009 CD1 TYR A 425 3.145 3.860 7.559 1.00 0.00 C ATOM 2010 CD2 TYR A 425 4.647 5.247 6.255 1.00 0.00 C ATOM 2011 CE1 TYR A 425 3.320 4.705 8.661 1.00 0.00 C ATOM 2012 CE2 TYR A 425 4.823 6.092 7.357 1.00 0.00 C ATOM 2013 CZ TYR A 425 4.160 5.821 8.560 1.00 0.00 C ATOM 2014 OH TYR A 425 4.333 6.655 9.647 1.00 0.00 O ATOM 0 H TYR A 425 2.270 2.677 2.507 1.00 0.00 H new ATOM 0 HA TYR A 425 1.508 3.763 5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 425 3.569 2.181 5.500 1.00 0.00 H new ATOM 0 HB3 TYR A 425 4.477 3.297 4.498 1.00 0.00 H new ATOM 0 HD1 TYR A 425 2.498 2.999 7.637 1.00 0.00 H new ATOM 0 HD2 TYR A 425 5.158 5.456 5.327 1.00 0.00 H new ATOM 0 HE1 TYR A 425 2.808 4.497 9.589 1.00 0.00 H new ATOM 0 HE2 TYR A 425 5.470 6.953 7.279 1.00 0.00 H new ATOM 0 HH TYR A 425 4.948 7.380 9.409 1.00 0.00 H new ATOM 2024 N ILE A 426 1.568 5.246 2.824 1.00 0.00 N ATOM 2025 CA ILE A 426 1.685 6.498 2.012 1.00 0.00 C ATOM 2026 C ILE A 426 1.801 7.716 2.935 1.00 0.00 C ATOM 2027 O ILE A 426 0.809 8.287 3.351 1.00 0.00 O ATOM 2028 CB ILE A 426 0.399 6.563 1.177 1.00 0.00 C ATOM 2029 CG1 ILE A 426 0.327 5.340 0.257 1.00 0.00 C ATOM 2030 CG2 ILE A 426 0.396 7.832 0.321 1.00 0.00 C ATOM 2031 CD1 ILE A 426 -1.121 5.119 -0.188 1.00 0.00 C ATOM 0 H ILE A 426 0.705 4.720 2.685 1.00 0.00 H new ATOM 0 HA ILE A 426 2.572 6.497 1.378 1.00 0.00 H new ATOM 0 HB ILE A 426 -0.460 6.576 1.847 1.00 0.00 H new ATOM 0 HG12 ILE A 426 0.967 5.488 -0.613 1.00 0.00 H new ATOM 0 HG13 ILE A 426 0.697 4.457 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 426 -0.520 7.871 -0.269 1.00 0.00 H new ATOM 0 HG22 ILE A 426 0.448 8.708 0.968 1.00 0.00 H new ATOM 0 HG23 ILE A 426 1.257 7.822 -0.347 1.00 0.00 H new ATOM 0 HD11 ILE A 426 -1.172 4.249 -0.843 1.00 0.00 H new ATOM 0 HD12 ILE A 426 -1.749 4.952 0.687 1.00 0.00 H new ATOM 0 HD13 ILE A 426 -1.475 5.999 -0.726 1.00 0.00 H new ATOM 2043 N ALA A 427 3.006 8.113 3.252 1.00 0.00 N ATOM 2044 CA ALA A 427 3.202 9.296 4.143 1.00 0.00 C ATOM 2045 C ALA A 427 3.862 10.441 3.368 1.00 0.00 C ATOM 2046 O ALA A 427 4.515 11.292 3.942 1.00 0.00 O ATOM 2047 CB ALA A 427 4.125 8.801 5.258 1.00 0.00 C ATOM 0 H ALA A 427 3.866 7.668 2.931 1.00 0.00 H new ATOM 0 HA ALA A 427 2.259 9.680 4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 427 4.319 9.614 5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 427 3.648 7.975 5.785 1.00 0.00 H new ATOM 0 HB3 ALA A 427 5.067 8.461 4.827 1.00 0.00 H new